N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide

C11H15BrClNO2S2 — CID 113271784

IUPACN-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1Br)c1ccc(Cl)s1
InChIInChI=1S/C11H15BrClNO2S2/c12-9-4-2-1-3-8(9)7-14-18(15,16)11-6-5-10(13)17-11/h5-6,8-9,14H,1-4,7H2
InChIKeyZHOHXKHMUYSYFC-UHFFFAOYSA-N
MW372.74 g/mol
LogP3.63
Rot. Bonds4

About N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide

N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 113271784) has the molecular formula C11H15BrClNO2S2 and a molecular weight of 372.74 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
PubChem CID113271784
Molecular FormulaC11H15BrClNO2S2
Molecular Weight372.74 g/mol
Exact Mass370.94
IUPAC NameN-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1Br)c1ccc(Cl)s1
InChIInChI=1S/C11H15BrClNO2S2/c12-9-4-2-1-3-8(9)7-14-18(15,16)11-6-5-10(13)17-11/h5-6,8-9,14H,1-4,7H2
InChIKeyZHOHXKHMUYSYFC-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 6470902
N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 106135049
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 114297585
N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
CID 80662650
5-chloro-N-[2-(cyclopentylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110345807
2,5-dibromo-N-[(2-bromocyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 114297544
5-chloro-N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]thiophene-2-sulfonamide
CID 133130662
N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
CID 119604012
5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide
CID 18583969
N-[(2-bromocyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 113271773
N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 114293669
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
CID 113271283

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide (CID 113271784) is N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide is O=S(=O)(NCC1CCCCC1Br)c1ccc(Cl)s1.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is ZHOHXKHMUYSYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S2/c12-9-4-2-1-3-8(9)7-14-18(15,16)11-6-5-10(13)17-11/h5-6,8-9,14H,1-4,7H2.
What are the key properties of N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide?
N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 372.74 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 113271784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).